PubChemLite - Altiratinib (C26H21F3N4O4)

Structural Information

Molecular Formula

SMILES

C1CC1C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C(=C3)F)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F

InChI

InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)

InChIKey

GNNDEPIMDAZHRQ-UHFFFAOYSA-N

Compound name

1-N'-[4-[2-(cyclopropanecarbonylamino)pyridin-4-yl]oxy-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	511.15878	188.7
[M+Na]+	533.14072	197.0
[M+NH4]+	528.18532	192.9
[M+K]+	549.11466	195.3
[M-H]-	509.14422	201.7
[M+Na-2H]-	531.12617	199.6
[M]+	510.15095	194.9
[M]-	510.15205	194.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

511.15878

188.7

[M+Na]+

533.14072

197.0

[M+NH4]+

528.18532

192.9

[M+K]+

549.11466

195.3

[M-H]-

509.14422

201.7

[M+Na-2H]-

531.12617

199.6

[M]+

510.15095

194.9

[M]-

510.15205

194.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Altiratinib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe